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Home Other Building Blocks 2910-85-2
2910-85-2,MFCD01814579
Catalog No.:AA002X93

2910-85-2 | 4-(3-Methyl-butoxy)-benzoic acid

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1g
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$197.00   $138.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002X93
Chemical Name:
4-(3-Methyl-butoxy)-benzoic acid
CAS Number:
2910-85-2
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD01814579
SMILES:
CC(CCOc1ccc(cc1)C(=O)O)C
NSC Number:
71588
Properties
Computed Properties
 
Complexity:
193  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
3.9  

Downstream Synthesis Route

[1]McElvain;Carney[JournaloftheAmericanChemicalSociety,1946,vol.68,p.2592,2599]

[1]Cohen;Dudley[JournaloftheChemicalSociety,1910,vol.97,p.1747]

[2]Hu,Lijun;Ren,Qiang;Deng,Liming;Zhou,Zongtao;Cai,Zongyu;Wang,Bin;Li,Zheng[EuropeanJournalofMedicinalChemistry,2021,vol.211]

[1]Cohen;Dudley[JournaloftheChemicalSociety,1910,vol.97,p.1747]

[2]Rohmann;Scheurle[ArchivderPharmazie,1936,vol.274,p.110,123]

[1]McElvain;Carney[JournaloftheAmericanChemicalSociety,1946,vol.68,p.2592,2599]

[1]Rohmann;Haas;Bergstermann[ArchivderPharmazie,1940,vol.278,p.425,434]

[2]Lauer;Moe[JournaloftheAmericanChemicalSociety,1943,vol.65,p.289,292]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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